benzhydryl (2R)-2-chloropropanoate

C16H15ClO2 — CID 14524946

IUPACbenzhydryl (2R)-2-chloropropanoate
SMILESC[C@@H](Cl)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15ClO2/c1-12(17)16(18)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-/m1/s1
InChIKeyAGBANENAAOTFLU-GFCCVEGCSA-N
MW274.75 g/mol
LogP3.95
Rot. Bonds4

About benzhydryl (2R)-2-chloropropanoate

benzhydryl (2R)-2-chloropropanoate (PubChem CID 14524946) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is benzhydryl (2R)-2-chloropropanoate.

Molecular Properties

Compound Namebenzhydryl (2R)-2-chloropropanoate
PubChem CID14524946
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Namebenzhydryl (2R)-2-chloropropanoate
SMILESC[C@@H](Cl)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15ClO2/c1-12(17)16(18)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-/m1/s1
InChIKeyAGBANENAAOTFLU-GFCCVEGCSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze benzhydryl (2R)-2-chloropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzhydryl 2,2-dichloroacetate
CID 102144827
benzhydryl (2S)-2-bromopropanoate
CID 124603852
benzhydryl 2,2-dihydroxyacetate
CID 11076121
benzhydryl (2S)-2-hydroxy-4-methylpentanoate
CID 10266710
benzhydryl acetate;hydrazine
CID 122610283
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate
CID 156776599
benzhydryl (2R)-2-(3-chlorophenyl)butanoate
CID 25198719
[chloro(phenyl)methyl] 2-hydroxypropanoate
CID 69060482
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
benzhydryl 2-hydroxybut-2-enoate
CID 154093504
benzhydryl 2-bromopentanoate
CID 19603754

Frequently Asked Questions

What is the IUPAC name of benzhydryl (2R)-2-chloropropanoate?
The IUPAC name of benzhydryl (2R)-2-chloropropanoate (CID 14524946) is benzhydryl (2R)-2-chloropropanoate.
What is the SMILES notation for benzhydryl (2R)-2-chloropropanoate?
The canonical SMILES for benzhydryl (2R)-2-chloropropanoate is C[C@@H](Cl)C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl (2R)-2-chloropropanoate?
The InChIKey is AGBANENAAOTFLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-12(17)16(18)19-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3/t12-/m1/s1.
What are the key properties of benzhydryl (2R)-2-chloropropanoate?
benzhydryl (2R)-2-chloropropanoate has a molecular weight of 274.75 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl (2R)-2-chloropropanoate is sourced from PubChem (CID 14524946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).